Geometry & MOs

Info

ID:	58059
PubChem CID:	24423810
Reduced:	OSF2N2C16H16 (1)
Stoich.:	ABC2D2E16F16 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	-79.99
Dipole, Da:	6.44
IP(EA), eV:	-8.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCO)C(=S)NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations